Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL26764213 | 0.87 | ALDH1A1 (0.62) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL16099343 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL17643350 | 0.85 | BLM (0.49) | ALDH1A1TSHRALOX15BLMMEN1 | |
| SCHEMBL16099940 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL17643511 | 0.84 | RXFP1 (0.60) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL30642272 | 0.83 | POLB (0.54) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL16117937 | 0.83 | POLB (0.54) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL16102029 | 0.81 | TXK (0.48) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL16102030 | 0.81 | TXK (0.48) | ALDH1A1HPGDHTTTSHRNPC1 | |
| SCHEMBL16094017 | 0.75 | ALDH1A1 (0.55) | ALDH1A1HPGDHTTNPC1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016049565-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | ARAXES PHARMA LLC (US) | 2016-03-31 | — | — | WO | disclosed |